CID 1780926

6-ethyl-7-((4-methoxybenzyl)oxy)-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C25H22O4
SMILES
CCC1=CC2=C(C=C1OCC3=CC=C(C=C3)OC)OC(=O)C=C2C4=CC=CC=C4
InChI
InChI=1S/C25H22O4/c1-3-18-13-22-21(19-7-5-4-6-8-19)14-25(26)29-24(22)15-23(18)28-16-17-9-11-20(27-2)12-10-17/h4-15H,3,16H2,1-2H3
InChIKey
QDPJABCDTUYAGF-UHFFFAOYSA-N
Compound name
6-ethyl-7-[(4-methoxyphenyl)methoxy]-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1518 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.159076 194.7
[M+Na]+ 409.141018 203.5
[M-H]- 385.144524 206.3
[M+NH4]+ 404.185623 205.6
[M+K]+ 425.114958 199.4
[M+H-H2O]+ 369.149060 183.8
[M+HCOO]- 431.150001 215.9
[M+CH3COO]- 445.165651 205.6
[M+Na-2H]- 407.126466 198.9
[M]+ 386.15125142 200.6
[M]- 386.15234858 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.